5-[(4-bromophenyl)carbonylamino]-2-(4-ethylpiperazin-1-yl)benzoic acid

Systemtic Name: 5-[(4-bromophenyl)carbonylamino]-2-(4-ethylpiperazin-1-yl)benzoic acid Openeye Name: 5-[(4-bromobenzoyl)amino]-2-(4-ethylpiperazin-1-yl)benzoic acid CAS Name: 5-[[(4-bromophenyl)-oxomethyl]amino]-2-(4-ethyl-1-piperazinyl)benzoic acid IUPAC Name: 5-[(4-bromobenzoyl)amino]-2-(4-ethylpiperazin-1-yl)benzoic acid Traditional Name: 5-[(4-bromobenzoyl)amino]-2-(4-ethylpiperazino)benzoic acid Formula: C20H22BrN3O3 MolecularWeight: 432.31098

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C20H22BrN3O3/c1-2-23-9-11-24(12-10-23)18-8-7-16(13-17(18)20(26)27)22-19(25)14-3-5-15(21)6-4-14/h3-8,13H,2,9-12H2,1H3,(H,22,25)(H,26,27)